COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK815718
Chemical Name: (2E)-2-(1-methyl-1H-benzimidazol-2-yl)-3-{3-[4-(morpholin-4-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}prop-2-enenitrile
Smiles: N#C/C(=C\c1cn(nc1c1ccc(cc1)S(=O)(=O)N1CCOCC1)c1ccccc1)/c1nc2c(n1C)cccc2

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Saltdata: 1CH3COOH
Molecular Weight: 550.64
Empirical Formula: C30H26N6O3S

Physical State: Dry powder
Available Amount: 105 mg

Lipinsky:
logP: 4.872
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 114
Number of rings: 6

     

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